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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50016670'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016670
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-(3-phenyl-propy...)
Show SMILES ON(CCCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H25NO3/c26-24(25(27)17-7-12-20-8-3-1-4-9-20)18-21-13-15-23(16-14-21)28-19-22-10-5-2-6-11-22/h1-6,8-11,13-16,27H,7,12,17-19H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 500n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat polymorphonuclear leukocyte 5-lipoxygenase


J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016670
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-(3-phenyl-propy...)
Show SMILES ON(CCCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H25NO3/c26-24(25(27)17-7-12-20-8-3-1-4-9-20)18-21-13-15-23(16-14-21)28-19-22-10-5-2-6-11-22/h1-6,8-11,13-16,27H,7,12,17-19H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 600n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase


J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair